Compound Detail
CHEMBL117098
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Basic Information
| ChEMBL ID | CHEMBL117098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MISZDRLQZXIZQM-UXHICEINSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
1.98
ALogP
4
HBA
3
HBD
101.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 3.3 | nM | 8.48 | Inhibitory constant evaluated against thrombin (Factor IIa) | 14505652 |
| Serine protease 1 | Ki | = | 6200.0 | nM | 5.21 | Inhibitory constant evaluated against trypsin | 14505652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505652 | 10.1016/s0960-894x(03)00732-7 | Serine protease 1 | 2 |
| 14505652 | 10.1016/s0960-894x(03)00732-7 | Prothrombin | 1 |
| 14505652 | 10.1016/s0960-894x(03)00732-7 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine